General Information of the Compound
| Compound ID |
CP0472624
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| Compound Name |
4-(2-bromo-4-propan-2-ylphenyl)-8-[ethyl(methyl)amino]-1-(4-fluorobutyl)-6-methyl-3H-pyrido[2,3-b]pyrazin-2-one
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| Structure |
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| Formula |
C24H32BrFN4O
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| Molecular Weight |
491.449
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| Canonical SMILES |
CCN(C)c1cc(C)nc2N(CC(=O)N(CCCCF)c12)c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C24H32BrFN4O/c1-6-28(5)21-13-17(4)27-24-23(21)29(12-8-7-11-26)22(31)15-30(24)20-10-9-18(16(2)3)14-19(20)25/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3
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| InChIKey |
WNKKSOFNVWHNQE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound